Physicochemical Properties
| Molecular Formula | C23H24CLF2NO3 |
| Molecular Weight | 435.89 |
| Exact Mass | 435.141 |
| CAS # | 2375193-43-2 |
| PubChem CID | 135397144 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 30 |
| Complexity | 440 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | OKFZPRHMUQRCLJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H23F2NO3.ClH/c24-20-6-1-17(2-7-20)15-28-22-10-5-19(14-26-11-12-27)13-23(22)29-16-18-3-8-21(25)9-4-18;/h1-10,13,26-27H,11-12,14-16H2;1H |
| Chemical Name | 2-[[3,4-bis[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | P62-ZZ domain[1]. |
| ln Vitro | Runx2 suppression at days 0 and 4 was avoided in the MM-preOB coculture when XRK3F2 was present. Moreover, XRK3F2 inhibited the overexpression of Gfi1 produced by MM. In all treatment scenarios, Gfi1 mRNA induction in BMSCs was inhibited by XRK3F2. On the other hand, Runx2 inhibition mediated by TNFα and IL7, as well as MM1.S CM, is prevented by XRK3F2. Additionally, XRK3F2 therapy decreased the myeloma pro-survival and pro-inflammatory factor IL6 mRNA. Moreover, XRK3F2 restores Runx2 repression in MC4 pre-OB and blocks TNFα-mediated elevation of Gfi1. Moreover, XRK3F2 prevents MM-induced GFI1 from occupying the Runx2-P1 promoter. In hBMSCs from MM patients, XRK3F2 therapy can dramatically restore Runx2 H3K9ac levels, and XRK3F2 can rescue the initial stages of osteogenesis [1]. |
| References |
[1]. XRK3F2 Inhibition of p62-ZZ Domain Signaling Rescues Myeloma-Induced GFI1-Driven Epigenetic Repression of the Runx2 Gene in Pre-osteoblasts to Overcome Differentiation Suppression. Front Endocrinol (Lausanne). 2018 Jun 29;9:344. |
Solubility Data
| Solubility (In Vitro) |
DMSO : 150 mg/mL (344.12 mM) H2O : 0.91 mg/mL (2.09 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.74 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2942 mL | 11.4708 mL | 22.9416 mL | |
| 5 mM | 0.4588 mL | 2.2942 mL | 4.5883 mL | |
| 10 mM | 0.2294 mL | 1.1471 mL | 2.2942 mL |